![TERNATIN-A3;3-O-(6-O-MALONYL-BETA-D-GLUCOPYRANOSYL)-3',5'-BIS-O-[6-O-((E)-4-O-BETA-D-GLUCOPYRANOSYL-P-COUMARYL)-BETA-D-GLUCOPYRANOSYL]-DELPHINIDIN](/api/spectrum/FxRc9ObXScB/structure.png?h=300&w=458 "TERNATIN-A3;3-O-(6-O-MALONYL-BETA-D-GLUCOPYRANOSYL)-3',5'-BIS-O-[6-O-((E)-4-O-BETA-D-GLUCOPYRANOSYL-P-COUMARYL)-BETA-D-GLUCOPYRANOSYL]-DELPHINIDIN")
| SpectraBase Compound ID | 3Za0DCp9mA5 |
|---|---|
| InChI | InChI=1S/C66H74O39.C2HF3O2/c67-19-36-46(77)51(82)56(87)62(101-36)95-28-7-1-24(2-8-28)5-11-42(73)92-21-38-48(79)53(84)58(89)64(103-38)98-33-13-26(61-35(17-30-31(70)15-27(69)16-32(30)97-61)100-66-60(91)55(86)50(81)40(105-66)23-94-44(75)18-41(71)72)14-34(45(33)76)99-65-59(90)54(85)49(80)39(104-65)22-93-43(74)12-6-25-3-9-29(10-4-25)96-63-57(88)52(83)47(78)37(20-68)102-63;3-2(4,5)1(6)7/h1-17,36-40,46-60,62-68,77-91H,18-23H2,(H3-,69,70,71,72,76);(H,6,7)/b11-5+,12-6+;/t36-,37-,38-,39+,40-,46-,47-,48-,49+,50-,51+,52+,53+,54-,55+,56-,57-,58-,59+,60-,62-,63-,64-,65+,66-;/m1./s1 |
| InChIKey | RHQVVNOFRFKFGQ-JODWAYDHSA-N |
| Mol Weight | 1605.3 g/mol |
| Molecular Formula | C68H75F3O41 |
| Exact Mass | 1604.373586 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FxRc9ObXScB |
|---|---|
| Name | TERNATIN-A3;3-O-(6-O-MALONYL-BETA-D-GLUCOPYRANOSYL)-3',5'-BIS-O-[6-O-((E)-4-O-BETA-D-GLUCOPYRANOSYL-P-COUMARYL)-BETA-D-GLUCOPYRANOSYL]-DELPHINIDIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H75F3O41 |
| InChI | InChI=1S/C66H74O39.C2HF3O2/c67-19-36-46(77)51(82)56(87)62(101-36)95-28-7-1-24(2-8-28)5-11-42(73)92-21-38-48(79)53(84)58(89)64(103-38)98-33-13-26(61-35(17-30-31(70)15-27(69)16-32(30)97-61)100-66-60(91)55(86)50(81)40(105-66)23-94-44(75)18-41(71)72)14-34(45(33)76)99-65-59(90)54(85)49(80)39(104-65)22-93-43(74)12-6-25-3-9-29(10-4-25)96-63-57(88)52(83)47(78)37(20-68)102-63;3-2(4,5)1(6)7/h1-17,36-40,46-60,62-68,77-91H,18-23H2,(H3-,69,70,71,72,76);(H,6,7)/b11-5+,12-6+;/t36-,37-,38-,39+,40-,46-,47-,48-,49+,50-,51+,52+,53+,54-,55+,56-,57-,58-,59+,60-,62-,63-,64-,65+,66-;/m1./s1 |
| InChIKey | RHQVVNOFRFKFGQ-JODWAYDHSA-N |
| Literature Reference Author | N.TERAHARA,M.ODA,T.MATSUI,Y.OSAJIMA,N.SAITO,K.TOKI,T.HONDA |
| Literature Reference Citation | J.NAT.PROD.,59,139(1996) |
| Literature Reference DOI | 10.1021/np960050a |
| Molecular Weight | 1605.314 g/mol |
| Solvent | DMSO-D6:CF3COOD |
| Source File Reference | UWVP2578 |